CID 3062248

80458-19-1

Structural Information

Molecular Formula
C16H19ClN2O
SMILES
COC1=CC2=C(C(=CN=C2C=C1)Cl)CC3CCNCC3
InChI
InChI=1S/C16H19ClN2O/c1-20-12-2-3-16-14(9-12)13(15(17)10-19-16)8-11-4-6-18-7-5-11/h2-3,9-11,18H,4-8H2,1H3
InChIKey
HBQVSPKNMJKKSJ-UHFFFAOYSA-N
Compound name
3-chloro-6-methoxy-4-(piperidin-4-ylmethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

290.1186 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.125876 167.3
[M+Na]+ 313.107818 174.4
[M-H]- 289.111324 169.7
[M+NH4]+ 308.152423 181.2
[M+K]+ 329.081758 167.5
[M+H-H2O]+ 273.115860 158.4
[M+HCOO]- 335.116801 177.7
[M+CH3COO]- 349.132451 176.8
[M+Na-2H]- 311.093266 171.2
[M]+ 290.11805142 165.2
[M]- 290.11914858 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe